The 5th Symposium on Electronic Structure Theory was be held in Waseda University
Mikito Fujinami(D2) won the Poster Prized at the 41st Chemoinformatics Symposium
Mikito Fujinami(D2) won the Poster Prized at the 41st Chemoinformatics Symposium
Kick-off Meeting of Grant-in-Aid for Scientific Research (S) “Clarification of Ubiqutus Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations” was held
Kick-off Meeting of Grant-in-Aid for Scientific Research (S) “Clarification of Ubiqutus Proton Function in Photoreceptive Proteins by Quantum Molecular Dynamics Simulations” was held successfully.
Date: 15:00-17:20, September 26, 2018
Place: Room 205, Building #63, Nishi-Waseda Campus, Waseda University
Sponsor：Project Research： Social Implementation of Computational Chemistry
cosponsor： Waseda Research Institute for Science and Engineering
Program
15:00 – 15:10 Opening remarks
15:10 – 15:30 Hiromi Nakai
15:30 – 15:50 Mitsunori Takano
16:00 – 16:15 Takeshi Yoshikawa
16:15 – 16:30 Junichi Ono
16:30 – 16:45 Nana Komoto
16:45 – 17:00 Dan Parkin
17:00 – 17:15 Jun Ohnuki
17:15 – 17:20 Closing remarks
1 oral presentation and 1 poster presentation was given at the 2018 Fall Meeting of Society of Computer Chemistry, Japan (Hirosaki)
1 oral presentation and 1 poster presentation was given at the 2018 Fall Meeting of Society of Computer Chemistry, Japan (Hirosaki).
A paper dicovering the control factor of the S0/S1 crossing structure was published in J. Phys. Chem. A
A paper dicovering the control factor of the S0/S1 crossing structure was published in J. Phys. Chem. A.
“Unveiling Controlling Factors of the S0/S1 Minimum Energy Conical Intersection: A Theoretical Study”
H. Nakai, M. Inamori, Y. Ikabata, Q. Wang, J. Phys. Chem. A
1 oral presentation and 3 poster presentations was given at the 41st Chemoinformatics Meeting (Kumamoto)
1 oral presentation and 3 poster presentations was given at the 41st Chemoinformatics Meeting (Kumamoto).
A review paper on RAQET, a practical relativistic quantum chemistry calculation program developed in CREST research was published in J. Comput. Chem.
CREST研究で開発した実用的相対論的量子化学計算プログラムRAQETの解説論文がJ. Comput. Chem.に掲載されました。
“RAQET: Large‐Scale Two‐Component Relativistic Quantum Chemistry Program Package”
Masao Hayami Junji Seino Yuya Nakajima Masahiko Nakano Yasuhiro Ikabata Takeshi YoshA review paper on RAQET, a practical relativistic quantum chemistry calculation program developed in CREST research was published in J. Comput. Chem.
The 56th Annual meeting of the biophysical society of Japan was held in Okayama
The 56th Annual meeting of the biophysical society of Japan was held in Okayama
Date：2018/9/15(Sat)～17日(Mon)
Place：Okayama University, Tsushima Campus
Sponsor： The biophysical society of Japan
Poster session
- Junichi Ono, Minori Imai, Yoshifumi Nishimura, Hiromi Nakai, “Large-scale quantum-mechanical molecular dynamics simulations for the primary proton transfer in bacteriorhodopsin”, 2Pos103, 2018/9/16 16:30-17:30.
- Nana Komoto, Takeshi Yoshikawa, Junichi Ono, Hiromi Nakai, “Development of large-scale excited-state calculation method and applied research on photoactive yellow protein”, 2Pos104, 2018/9/16 17:30-18:30.
An review article was published in the special issue “Materials Informatics” of “Chemistry and Chemical Industry” August issue.
An review article “Reaction design by fusion of theoretical chemistry and informatics” (Fujinami, Seino, Nakai) was published in the special issue “Materials Informatics” of “Chemistry and Chemical Industry” August issue (2018).
Dr. Seino will give an invited lecture at Technical information institute
Dr. Seino will give an invited lecture at Technical information institute
Date：2018/8/27(Mon) 15:00～17:00
Place：Technical information institute seminar room
Sponsor： Technical information institute
HP: http://www.gijutu.co.jp/doc/s_808208.htm
Invited lecture
- 人工知能を用いた化学反応の予測と反応条件の最適化”, 2018/8/27 15:00-17:00.